DL-1-フェニルエチルアミン
1-Phenethylamine
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
618-36-0- 標準SMILES
CC(N)c1ccccc1- InChIKey
RQEUFEKYXDPUSK-UHFFFAOYSA-N- 分子式
- C8H11N
- 平均分子量
- 121.18 g/mol
- 単同位体質量
- 121.08914936
名称と識別子
- 優先名称
- 1-Phenethylamine
- IUPAC
- 1-phenylethanamine
- 現地名
- DL-1-フェニルエチルアミン
- 英語名
- DL-alpha-Methylbenzylamine
- 分子式
- C8H11N
- 分子量
- 121.18
名称と別名
1-Phenylethanamine1-PhenylethylamineALPHA-METHYLBENZYLAMINEalpha-Phenylethylamine1-Phenethylaminealpha-Aminoethylbenzene1-Amino-1-phenylethane98-84-0alpha-Phenethylaminealpha-MethylbenzenemethanamineSumine 2079Ethanamine, 1-phenyl-
名称をさらに表示
DL-1-フェニルエチルアミンDL-α-メチルベンジルアミンrac-[(1R*)-1-フェニルエチル]アミンrac-(1R*)-1-フェニルエタンアミンrac-[(R*)-1-フェニルエチル]アミンrac-(R*)-1-フェニルエチルアミンdl-α-フェニルエチルアミンrac-(R*)-α-フェニルエタンアミンrac-(R*)-1-フェニルエタンアミン(±)-α-メチルベンジルアミンrac-[(R*)-α-メチルベンジル]アミンrac-(R*)-α-メチルベンゼンメタンアミン(±)-1-フェニルエチルアミンrac-(αR*)-α-メチルベンゼンメタンアミンrac-(R*)-α-メチルベンジルアミンDL-α-アミノエチルベンゼン(±)-フェニルエチルアミンDL‐Α‐メチルベンジルアミン(±)-1-フェニルエチルアミン, 98+%α-Methylbenzylamine-aLALPHA-PEADL-1-PHENYLETHYLAMINEDL-A-PHENYLETHYLAMINEdl-à-methylbenzylamineDL-alfa-Methylbenzylamine(¬
Ethylamine, 1-phenyl-(1-Aminoethyl)benzeneBenzene, (1-amino-ethyl)-HZ9DM6B2MTBenzylamine, alpha-methyl-Benzenemethanamine, alpha-methyl-Benzenemethaneamine, alpha-methyl-NSC-8391
データベース識別子
- CAS
618-36-0、98-84-0- PubChem CID
- 7408
- DTXSID
DTXSID40862301- ChEMBL
CHEMBL278059- ChEBI
CHEBI:670- UNII
- HZ9DM6B2MT
- EC Number
- 202-706-6、210-545-8
- Nikkaji
- J66.056F
物性
構造計算による物性補完中
- XLogP
- 1.2
- 極性表面積
- 26 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 74
実験および物理化学的性質
LogP1.49
OdorMILD AMMONIACAL ODOR
Density0.9535 @ 20 °C/20 °C
Color/FormWATER-WHITE LIQ
Solubility
SOL IN MOST ORG SOLVENTS & HYDROCARBONS
42 mg/L at 20 °C
Flash Point
79.4 °C
175 °F (79 °C) OC
Boiling Point188.5 °C
Melting Point
-65 °C
< 25 °C
Vapor Density4.2 (AIR= 1)
Vapor Pressure
0.5 [mmHg]
0.5 MM HG @ 20 °C
Refractive Index
INDEX OF REFRACTION: 1.5238 @ 25 °C/D; SADTLER REFERENCE NUMBER: 5859 (IR, PRISM); 8420 (IR, GRATING); 1640 (UV); 207 (NMR, VARIAN) /DL-FORM/
INDEX OF REFRACTION: 1.5366 @ 20 °C
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]；H312: Harmful in contact with skin [Warning Acute toxicity, dermal]；H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Danger
危険有害性情報
Regulatory Information
Benzenemethanamine, .alpha.-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, .alpha.-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 18-09-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11009
1-Phenylethylamine: Does not have an individual approval but may be used under an appropriate group standard
Fire PotentialMODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS
Hazards Summary
Emergency treatment: Irritants; [HSDB] Corrosive to skin and eyes, based on animal studies; [CHEMINFO] A corrosive substance that may cause burns; [eChemPortal: ESIS] Causes burns; Harmful by ingestion or skin absorption; Inhalation may cause corrosive effects to the upper respiratory tract and lungs; [Aldrich MSDS]
NFPA Hazard Classification
2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.
2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.
化学と産業
薬理情報
Metabolism/MetabolitesDEMETHYLATION OF N-METHYLPHENYLALKYLAMINES BY RAT LIVER HOMOGENATES.
Cellular LocationsCytoplasm
用途と製造
Uses
Used for synthesis and as an emulsifying agent; [Hawley] Used as a resolving agent and chiral intermediate; [Merck Index]
SYNTHESIS; EMULSIFYING AGENT
U.S. Production2023: 250,000 - <550,000 lb；2022: 550,000 - <1,000,000 lb；2021: 250,000 - <550,000 lb；2020: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
Methods of ManufacturingPREPARED BY REDUCTION OF ACETOPHENONE IN LIQUID AMMONIA: ROBINSON, SNYDER, ORG SYN COLL VOL III, 717 (1955).
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzenemethanamine, .alpha.-methyl-: ACTIVE
応用分野
使用Used for synthesis and as an emulsifying agent; used as a resolving agent and chiral intermediate.
一般的な説明α-Methylbenzylamine is a nitrogen source that is widely used as a representative substrate to study the chemo-enzymatic kinetic resolution of primary amines.
調製方法
純化方法Dissolve the amine in toluene, dry over NaOH and distil; fraction boiling at 187-188o/atm is collected. Store it under N2 to avoid forming the carbamate and urea. Similarly for the S-(-) enantiomer [2627-86-3]. [Ingersoll Org Synth Coll Vol II 503 1943, Robinson & Snyder Org Synth Coll Vol III 717 1955, Beilstein 12 IV 2424, 2425.]
関連反応
314 件
化合物ノート
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